Compound Detail
CHEMBL1289943
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc2[nH]c(C)c(CC(=O)N[C@@H](CCCCCC(=O)NO)C(=O)Nc3cccc4cccnc34)c2c1
Basic Information
| ChEMBL ID | CHEMBL1289943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJYFKGBVXACHBX-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
531.6
MW (Da)
4.16
ALogP
6
HBA
5
HBD
145.4
PSA (Ų)
0.11
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| NFF CHEMBL614198 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against drug-sensitive ring-stage Plasmodium falciparum 3D... | 20951583 |
| NFF | IC50 | = | 260.0 | nM | 6.58 | Cytotoxicity against human NFF after 96 hrs by sulforhodamine B assay | 20951583 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20951583 | 10.1016/j.bmcl.2010.09.096 | Plasmodium falciparum | 2 |
| 20951583 | 10.1016/j.bmcl.2010.09.096 | Unchecked | 2 |
| 20951583 | 10.1016/j.bmcl.2010.09.096 | NFF | 1 |
| 20951583 | 10.1016/j.bmcl.2010.09.096 | Histone deacetylase | 1 |
Data from ChEMBL 36 via Core Engine